Glycoside
GD036070
Name:
NoneFormula:
C30H29O12BrSmiles:
CC(=O)OC[C@@H]1O[C@H](Oc2c(-c3ccc(Br)cc3)oc3cc(C)ccc3c2=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.Cc1ccc2c(=O)c(O)c(-c3ccc(Br)cc3)oc2c1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.37 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 8 |
| MolWt: | 661.45 | Num_heavy_atoms: | 43 |
| TPSA: | 153.87 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD22782
Formula: C16H11O3Br
Smiles:
Cc1ccc2c(=O)c(O)c(-c3ccc(Br)cc3)oc2c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 4.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 331.17 | Num_heavy_atoms: | 20 |
| TPSA: | 50.44 | NumAromaticRings: | 3 |
